{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,22]],"date-time":"2026-10-22T12:47:29Z","timestamp":1792673249123,"version":"4.5.0"},"reference-count":65,"publisher":"American Chemical Society (ACS)","issue":"42","license":[{"start":{"date-parts":[[2026,10,11]],"date-time":"2026-10-11T00:00:00Z","timestamp":1791676800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100002341","name":"Research Council of Finland","doi-asserted-by":"publisher","award":["346373"],"award-info":[{"award-number":["346373"]}],"id":[{"id":"10.13039\/501100002341","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100010663","name":"H2020 European Research Council","doi-asserted-by":"publisher","award":["101002728"],"award-info":[{"award-number":["101002728"]}],"id":[{"id":"10.13039\/100010663","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2026,10,22]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>We use computational quantum chemistry to study gas-phase reactions of aldehydes with water and sulfur dioxide. We find that a new reaction leading to the formation of previously nearly unstudied sulfite esters is possible with a comparatively low barrier. The reaction can be catalyzed by the presence of additional hydrogen bonding molecules, including water, nitric acid, and sulfuric acid. Our calculations also show that the binding energy between nitrate ions and sulfite esters should be high enough to enable their detection by nitrate ion chemical ionization mass spectrometry (CIMS). Under certain conditions, such as at the surface of acid\u2013base clusters, the formation of these sulfite esters should be competitive with that of organosulfates and sulfinic acids. These findings suggest that sulfite esters may represent a new class of molecules that can contribute to new particle formation (NPF) and the subsequent generation of atmospheric aerosol.<\/jats:p>","DOI":"10.1021\/acs.jpclett.6c02217","type":"journal-article","created":{"date-parts":[[2026,10,11]],"date-time":"2026-10-11T15:01:37Z","timestamp":1791730897000},"page":"12164-12170","source":"Crossref","is-referenced-by-count":0,"title":["Computational Study of Gas-Phase Reactions to Produce\nSulfite Esters: A New Class of Sulfur Containing Molecules in the\nAtmosphere?"],"prefix":"10.1021","volume":"17","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-4290-9058","authenticated-orcid":true,"given":"Christopher David","family":"Daub","sequence":"first","affiliation":[{"name":"University of Helsinki , , P.O. Box 64, ,","place":["Helsinki, Finland, FI-00014"]},{"name":"Tampere University , , ,","place":["Tampere, Finland, 33720"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8148-9252","authenticated-orcid":true,"given":"Avinash","family":"Kumar","sequence":"additional","affiliation":[{"name":"Tampere University , , ,","place":["Tampere, Finland, 33720"]},{"name":"University of Helsinki , , P.O. Box 55, ,","place":["Helsinki, Finland, FI-00014"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0463-8098","authenticated-orcid":true,"given":"Matti","family":"Rissanen","sequence":"additional","affiliation":[{"name":"Tampere University , , ,","place":["Tampere, Finland, 33720"]},{"name":"University of Helsinki , , P.O. Box 55, ,","place":["Helsinki, Finland, FI-00014"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2026,10,11]]},"reference":[{"key":"2026102208020687800_cit1","doi-asserted-by":"publisher","first-page":"10314","DOI":"10.1021\/ja00101a067","article-title":"Gas Phase Reaction\nof Sulfur Trioxide with Water Vapor","volume":"116","author":"Kolb","year":"1994","journal-title":"J. Am.\nChem. Soc."},{"key":"2026102208020687800_cit2","doi-asserted-by":"publisher","first-page":"10316","DOI":"10.1021\/ja00101a068","article-title":"Ab Initio Molecular\nOrbital Study of the Mechanism\nof the Gas Phase Reaction SO3 + H2O: Importance\nof the Second Water Molecule","volume":"116","author":"Morokuma","year":"1994","journal-title":"J. Am. Chem. 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